Geometry & MOs

Info

ID:	440729
PubChem CID:	135231144
Reduced:	ClSO3N4H15C18 (1)
Stoich.:	ABC3D4E15F18 (1)
Weight, g/mol:	466.269239
ΔH_f, kcal/mol:	-33.37
Dipole, Da:	6.46
IP(EA), eV:	-9.68(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(6S)-6-(dimethylamino)-3-(3-methoxypropyl)-2-oxo-6-phenyl-1,3-diazonan-1-yl]-4-methoxypyrimidine-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=O)NCC2=CC=NC=C2)S(=O)(=O)C3=CN=C(C=C3)Cl

DOS

IR

Vibrations